2,3,3-tris(4-methoxyphenyl)prop-2-enal

C24H22O4 — CID 13400445

IUPAC2,3,3-tris(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(C=O)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22O4/c1-26-20-10-4-17(5-11-20)23(16-25)24(18-6-12-21(27-2)13-7-18)19-8-14-22(28-3)15-9-19/h4-16H,1-3H3
InChIKeyOYTCWLFHZDCZAW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.87
Rot. Bonds7

About 2,3,3-tris(4-methoxyphenyl)prop-2-enal

2,3,3-tris(4-methoxyphenyl)prop-2-enal (PubChem CID 13400445) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,3,3-tris(4-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name2,3,3-tris(4-methoxyphenyl)prop-2-enal
PubChem CID13400445
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name2,3,3-tris(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(C=O)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H22O4/c1-26-20-10-4-17(5-11-20)23(16-25)24(18-6-12-21(27-2)13-7-18)19-8-14-22(28-3)15-9-19/h4-16H,1-3H3
InChIKeyOYTCWLFHZDCZAW-UHFFFAOYSA-N
XLogP4.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
S-(3-oxoprop-1-en-2-yl) 4-methoxybenzenecarbothioate
CID 121220366
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
3-imino-2-(4-methoxyphenyl)prop-2-enal
CID 135778343
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
CID 136883665
CID 136883665
formic acid;methyl 4-methoxybenzoate
CID 159779883
5,5-bis(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)penta-2,4-dienal;3,3-bis(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)prop-2-enal
CID 159184203
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846

Frequently Asked Questions

What is the IUPAC name of 2,3,3-tris(4-methoxyphenyl)prop-2-enal?
The IUPAC name of 2,3,3-tris(4-methoxyphenyl)prop-2-enal (CID 13400445) is 2,3,3-tris(4-methoxyphenyl)prop-2-enal.
What is the SMILES notation for 2,3,3-tris(4-methoxyphenyl)prop-2-enal?
The canonical SMILES for 2,3,3-tris(4-methoxyphenyl)prop-2-enal is COc1ccc(C(C=O)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3,3-tris(4-methoxyphenyl)prop-2-enal?
The InChIKey is OYTCWLFHZDCZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-26-20-10-4-17(5-11-20)23(16-25)24(18-6-12-21(27-2)13-7-18)19-8-14-22(28-3)15-9-19/h4-16H,1-3H3.
What are the key properties of 2,3,3-tris(4-methoxyphenyl)prop-2-enal?
2,3,3-tris(4-methoxyphenyl)prop-2-enal has a molecular weight of 374.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tris(4-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 13400445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).